7NG1

Crystal structure of alpha Carbonic anhydrase from Schistoso ma mansoni bound to 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]selenourea

Summary for 7NG1

• Entry DOI: 10.2210/pdb7ng1/pdb
• Descriptor: Carbonic anhydrase, ~{N}'-(4-iodophenyl)-~{N}-[2-(4-sulfamoylphenyl)ethyl]carbamimidoselenoic acid, ZINC ION, ... (6 entities in total)
• Functional Keywords: lyase
• Biological source: Schistosoma mansoni (Blood fluke)
• Total number of polymer chains: 2
• Total formula weight: 77987.25

Authors

Ferraroni, M.,Angeli, A.,Supuran, C.T. (deposition date: 2021-02-08, release date: 2022-03-02, Last modification date: 2024-01-31)

• Primary citation: Angeli, A.,Ferraroni, M.,Da'dara, A.A.,Selleri, S.,Pinteala, M.,Carta, F.,Skelly, P.J.,Supuran, C.T.; Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.; J.Med.Chem., 64:10418-10428, 2021; PubMed: 34232641; DOI: 10.1021/acs.jmedchem.1c00840

Experimental method

X-RAY DIFFRACTION (1.67 Å)